1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol

C14H28F2N2O — CID 83992859

IUPAC1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)F)CN(CC(C)C)C1
InChIInChI=1S/C14H28F2N2O/c1-4-13(19)11-5-12(17-6-14(15)16)9-18(8-11)7-10(2)3/h10-14,17,19H,4-9H2,1-3H3
InChIKeyBMPVKCVTVCBTJU-UHFFFAOYSA-N
MW278.39 g/mol
LogP1.96
Rot. Bonds7

About 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol

1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol (PubChem CID 83992859) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
PubChem CID83992859
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)F)CN(CC(C)C)C1
InChIInChI=1S/C14H28F2N2O/c1-4-13(19)11-5-12(17-6-14(15)16)9-18(8-11)7-10(2)3/h10-14,17,19H,4-9H2,1-3H3
InChIKeyBMPVKCVTVCBTJU-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83997701
2-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]acetonitrile
CID 83993356
1-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990205
1-(2-methylpropyl)-5-propan-2-yl-N-propylpiperidin-3-amine
CID 83990880
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993221
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163
1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83992992
N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83995616
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990763
1-[1-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992705
1-[1-(2-hydroxyethyl)-5-(methylamino)piperidin-3-yl]propan-1-ol
CID 83990104
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol (CID 83992859) is 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol is CCC(O)C1CC(NCC(F)F)CN(CC(C)C)C1.
What is the InChIKey of 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
The InChIKey is BMPVKCVTVCBTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O/c1-4-13(19)11-5-12(17-6-14(15)16)9-18(8-11)7-10(2)3/h10-14,17,19H,4-9H2,1-3H3.
What are the key properties of 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83992859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).